SCHEMBL8288335

SCHEMBL8288335

CCOC(=O)c1c(-c2ccc(CCC(C)C)cc2)c(C#N)c(CC)n1C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 18/20 0.54
GRIA4 P48058 18/20 0.54
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8288342 0.90 GRIA2 (0.56) GRIA2GRIA4FNTAFNTB
SCHEMBL4375935 0.89 GRIA2 (0.57) GRIA2GRIA4
SCHEMBL8289417 0.87 GRIA4 (0.69) GRIA2GRIA4
SCHEMBL4372260 0.86 GRIA2 (0.60) GRIA2GRIA4FNTAFNTB
SCHEMBL8289837 0.86 GRIA4 (0.60) GRIA2GRIA4
SCHEMBL4371272 0.85 GRIA2 (0.58) GRIA2GRIA4
SCHEMBL8288380 0.85 GRIA2 (0.58) GRIA2GRIA4FNTAFNTB
SCHEMBL4373189 0.85 GRIA2 (0.49) GRIA2GRIA4FNTAFNTB
SCHEMBL8288334 0.84 GRIA2 (0.55) GRIA2GRIA4FNTAFNTB
SCHEMBL4381903 0.84 GRIA2 (0.62) GRIA2GRIA4FNTAFNTB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed